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| CAS No.: | 102-09-0 |
|---|---|
| Name: | Diphenyl carbonate |
| Molecular Structure: | |
|
|
|
| Formula: | C13H10O3 |
| Molecular Weight: | 214.221 |
| Synonyms: | Diphenylcarbonate;NSC 37087;Phenyl carbonate;Phenyl carbonate ((PhO)2CO);Carbonic acid, diphenyl ester; |
| EINECS: | 203-005-8 |
| Density: | 1,3 g/cm3 |
| Melting Point: | 79-82 °C(lit.) |
| Boiling Point: | 304 °C at 760 mmHg |
| Flash Point: | 119.4 °C |
| Solubility: | Insoluble in water |
| Appearance: | white solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-20 |
| Safety: | 22-24/25 |
| PSA: | 35.53000 |
| LogP: | 3.26440 |
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| Conditions | Yield |
|---|---|
| With oxygen; sodium hydrogencarbonate; triethylamine In water for 1.5h; Irradiation; | 99% |
| With pyridine; oxygen at 20℃; for 1h; Time; Reagent/catalyst; Irradiation; | 99% |
- 3115-68-2
tetrabutyl phosphonium bromide
- 1885-14-9
phenyl chloroformate
- 616-38-6
carbonic acid dimethyl ester
- 102-09-0
bis(phenyl) carbonate
| Conditions | Yield |
|---|---|
| 98% |
- 13509-27-8
methyl phenyl carbonate
- 3115-68-2
tetrabutyl phosphonium bromide
- 1885-14-9
phenyl chloroformate
- 102-09-0
bis(phenyl) carbonate
| Conditions | Yield |
|---|---|
| 98% |
- 122350-19-0
3,3'-carbonylbis<5-phenyl-1,3,4-oxadiazole-2(3H)-thione>
- 108-95-2
phenol
A
- 102-09-0
bis(phenyl) carbonate
B
- 3004-42-0
5-phenyl-1,3,4-oxadiazole-2(3H)-thione
| Conditions | Yield |
|---|---|
| With pyridine In various solvent(s) for 192h; Ambient temperature; | A 97% B n/a |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol; N,N-dimethyl-formamide | A 97% B n/a |
| Conditions | Yield |
|---|---|
| lead (II) phenoxide at 210 - 235℃; under 150.015 - 6750.68 Torr; for 500 - 6000h; Product distribution / selectivity; Heating / reflux; | A 97% B n/a |
| Conditions | Yield |
|---|---|
| With trifluoroacetyl peroxide; trifluoroacetic acid In 1,1,2-Trichloro-1,2,2-trifluoroethane at -25℃; for 1h; Criegee rearrangement; | 96% |
- 59550-02-6
benzophenone diphenyl ketal
- 102-09-0
bis(phenyl) carbonate
| Conditions | Yield |
|---|---|
| With trifluoroacetyl peroxide; trifluoroacetic acid In trichlorofluoromethane at -24℃; for 1h; Criegee rearrangement; | 96% |
- 4223-31-8
N,N′-hexanediyl bis-carbamic acid diphenyl ester
A
- 102-09-0
bis(phenyl) carbonate
B
- 822-06-0
Hexamethylene diisocyanate
| Conditions | Yield |
|---|---|
| at 150℃; under 11.2511 - 112.511 Torr; | A n/a B 95.3% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride | 95.2% |
| With hydrogenchloride | 95.2% |
| With hydrogenchloride | 95.2% |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Diphenyl carbonate, also known as Carbonic acid, diphenyl ester, is the organic compound with the formula C13H10O3. This chemical belongs to the product categories of Color Former & Related Compounds; Functional Materials; Sensitizer; Carbonates; Carbonyl Compounds; Organic Building Blocks. Its EINECS registry number is 203-005-8. With the CAS registry number 102-09-0, its IUPAC name is called Diphenyl carbonate. It is both as a monomer in combination with bisphenol A in the production of polycarbonate polymers and a product of the decomposition of polycarbonates.
Physical properties of Diphenyl carbonate: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 183.15; (5)ACD/BCF (pH 7.4): 183.15; (6)ACD/KOC (pH 5.5): 1449.84; (7)ACD/KOC (pH 7.4): 1449.84; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.575; (11)Molar Refractivity: 59.21 cm3; (12)Molar Volume: 178.9 cm3; (13)Surface Tension: 44 dyne/cm; (14)Density: 1.197 g/cm3; (15)Flash Point: 119.4 °C; (16)Enthalpy of Vaporization: 54.43 kJ/mol; (17)Boiling Point: 304 °C at 760 mmHg; (18)Vapour Pressure: 0.000899 mmHg at 25°C.
Preparation: this chemical can be prepared by carbonic acid dimethyl ester and phenol. This reaction is a kind of transesterification. It will need catalyst TiO2/SiO2. The reaction pressure is 0.39 MPan with reaction temperature of 200～250 °C.
Uses of Diphenyl carbonate: it is mainly used as synthetic raw material for engineering plastic polycarbonate and gathering p-hydroxy benzoic acid ester. In addition, it can also be used as plasticizer and solvents of nitric acid cellulose.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. Meanwhile, is is harmful by inhalation. You should not breathe its dust. What's more, you must avoid contact it with skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2
(2)InChI: InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H
(3)InChIKey: ROORDVPLFPIABK-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 1500mg/kg (1500mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | National Technical Information Service. Vol. OTS0540144, |